2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone

C20H20F3N5O — CID 58267559

IUPAC2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone
SMILESCn1ccc(CC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)n1
InChIInChI=1S/C20H20F3N5O/c1-27-9-7-14(25-27)11-18(29)13-6-8-24-15(10-13)12-28-17-5-3-2-4-16(17)19(26-28)20(21,22)23/h6-10H,2-5,11-12H2,1H3
InChIKeyOTCSEUAJZYCCMZ-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.38
Rot. Bonds5

About 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone

2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone (PubChem CID 58267559) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone
PubChem CID58267559
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone
SMILESCn1ccc(CC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)n1
InChIInChI=1S/C20H20F3N5O/c1-27-9-7-14(25-27)11-18(29)13-6-8-24-15(10-13)12-28-17-5-3-2-4-16(17)19(26-28)20(21,22)23/h6-10H,2-5,11-12H2,1H3
InChIKeyOTCSEUAJZYCCMZ-UHFFFAOYSA-N
XLogP3.38
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ibudilast
CID 3671
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
2,3-Dihydroindol-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 5308192
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389232
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389400
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389401
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 121231190
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone (CID 58267559) is 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone is Cn1ccc(CC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone?
The InChIKey is OTCSEUAJZYCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-27-9-7-14(25-27)11-18(29)13-6-8-24-15(10-13)12-28-17-5-3-2-4-16(17)19(26-28)20(21,22)23/h6-10H,2-5,11-12H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone?
2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone has a molecular weight of 403.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-4-pyridinyl]ethanone is sourced from PubChem (CID 58267559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).